8018-2799 Screening compound: 6-(2-hydroxyethyl)-1-methyl-4-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8018-2799 Screening compound: 6-(2-hydroxyethyl)-1-methyl-4-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8018-2799 Screening compound: 6-(2-hydroxyethyl)-1-methyl-4-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2799
6-(2-hydroxyethyl)-1-methyl-4-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-2799

Molecular Formula

C15H16N4O5 (C15 H16 N4 O5)

Compound Name

6-(2-hydroxyethyl)-1-methyl-4-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-(2-hydroxyethyl)-1-methyl-4-(3-nitrophenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1CCO)=C(C(c2cccc([N+]([O-])=O)c2)N2)C1=O)C2=O

InChI

InChI=1S/C15H16N4O5/c1-17-11-8-18(5-6-20)14(21)12(11)13(16-15(17)22)9-3-2-4-10(7-9)19(23)24/h2-4,7,13,20H,5-6,8H2,1H3,(H,16,22)/t13-/m1/s1

InChI Key

TZSJCVUDADTLNC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07657801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.208

Distribution Coefficient, logD

-0.246

Water Solubility, LogSw

-2.08

Polar Surface Area

94.789

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8018-2799 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2799?
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What is the minimum amount of 8018-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2799
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-2799 available by request